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EC number: 241-168-7 | CAS number: 17096-47-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 18 October 2019 - 31 October 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: the test substance was phlegmatized (15 mass% water addition) for the time of transportation. Before the study performance, the sample was dried at room temperature under vacuum conditions until a constant mass was obtained. The water content after drying process was determined using Karl Fischer method. The purity of test item after drying process was 99.88% ± 0.01%, and water content dropped to 0.391% ± 0.003%. - Key result
- Water solubility:
- 6.81 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- >= 3.71 - <= 4.07
- Conclusions:
- Solubility of the test item in water at 20 ± 0.5ºC and at pH ranging 3.71–4.07 is 6.81 g/L.
- Executive summary:
The water solubility determination of the test item was performed in accordance with EU method A.6 and OECD TG 105. About 5 times the quantity necessary to saturate the desired volume of water, estimated in a preliminary test, was weighed into three glass vessels fitted with glass stoppers. These closed vessels were agitated in an incubator at 20ºC with magnetic stirrer. It was decided to execute the solubility test without pre-incubation at 30ºC due to the fact that the test item melting point is about 37ºC and thus the solubility test with preincubation at 30ºC could cause disturbances in the course of the study. In order to estimate the rate of establishment of the saturation equilibrium, samples were taken until the stirring time had no influence on the concentration measured. The samples taken during saturation were separated using a vial-centrifuge to give the clear liquid phase and the concentration of test substance in the clear solvent phase was determined by a validated HPLC method. The solubility of the test item in distilled water at pH 3.71 - 4.07 was determined to be 6.81 g/L at 20 ± 0.5 °C.
Reference
Table 1. Results of the preliminary test
0.1g in x ml of solution |
0.1 |
0.5 |
1 |
2 |
10 |
100 |
> 100 |
Soluble (+/-) |
- |
- |
- |
- |
- |
+ |
|
Approximate solubility, g/l |
> 1000 |
1000 to 200 |
200 to 100 |
100 to 50 |
50 to 10 |
10 to 1 |
<1 |
Table 2. Calibration solution
Day |
Weight [mg] |
Dilution [ml] |
Cw [mg/ml] |
Peak area |
Average peak area Aw |
f |
Average f |
|
1 |
10.22 |
25-0.2-10 |
0.008176 |
437624 |
437859 |
437741.5 |
0.00001868 |
0.00001892 |
25-0.5-10 |
0.020440 |
1067649 |
1065509 |
1066579.0 |
0.00001916 |
|||
2 |
25-0.2-10 |
0.008176 |
437910 |
437990 |
437950.0 |
0.00001867 |
0.00001892 |
|
25-0.5-10 |
0.020440 |
1066959 |
1065799 |
1066379.0 |
0.00001917 |
|||
3 |
25-0.2-10 |
0.008176 |
434876 |
435153 |
435014.5 |
0.00001879 |
0.00001908 |
|
25-0.5-10 |
0.020440 |
1055806 |
1055438 |
1055622.0 |
0.00001936 |
Table 3. Study solution in water
Sample mixing time/ flask |
Weight of the sample [mg] |
Dilution [ml] |
Cp [mg/ml] |
Peak area |
Average peak area Ap |
X [g/kg] |
||
72h |
1 |
200.21 |
10-1-10 |
2.0021 |
726427 |
726089 |
726258 |
6.8635 |
2 |
200.67 |
2.0067 |
721439 |
719666 |
720552.5 |
6.7940 |
||
3 |
198.76 |
1.9876 |
712710 |
711622 |
712166 |
6.7794 |
||
120h |
1 (4) |
201.17 |
2.0117 |
726628 |
726762 |
726695 |
6.8339 |
|
2 (5) |
200.69 |
2.0069 |
720894 |
719304 |
720099 |
6.7881 |
||
3 (6) |
200.66 |
2.0066 |
713271 |
717037 |
715154 |
6.7425 |
||
144h |
1 (7) |
200.97 |
2.0097 |
719209 |
718515 |
718862 |
6.8244 |
|
2 (8) |
200.76 |
2.0076 |
718058 |
718135 |
718096.5 |
6.8243 |
||
3 (9) |
203.07 |
2.0307 |
724413 |
724287 |
724350 |
6.8054 |
Table 4. Results of test item solubility in water
Mixing time at 20 ºC [h] |
72 |
120 |
144 |
||||||
Samples |
1 |
2 |
3 |
1 (4) |
2 (5) |
3 (6) |
1 (7) |
2 (8) |
3 (9) |
Temperature, ºC |
20.4 |
20.1 |
19.8 |
||||||
pH |
4.05 |
4.03 |
4.07 |
3.87 |
3.92 |
3.87 |
3.78 |
3.84 |
3.71 |
Concentration of Me-NENA (Methyl-2-nitratoethylnitramine), g/l |
6.86 |
6.79 |
6.78 |
6.83 |
6.79 |
6.74 |
6.82 |
6.82 |
6.81 |
Average concentration Me-NENA (Methyl-2-nitratoethylnitramine), g/l |
6.81 |
6.79 |
6.82 |
||||||
Average concentration Me-NENA (Methyl-2-nitratoethylnitramine), g/l |
6.81 |
Saturation was achieved after 72 h of mixing at 20ºC. The density of this solution is about 1 kg/L (about water density). After recalculation: The solubility of Me-NENA (Methyl-2-nitratoethylnitramine) at pH 3.71 – 4.07 in water is 6.81 g/L.
Description of key information
Key study: Test method EU A.6 and OECD 105. GLP study. The solubility of the test item in distilled water at pH 3.71 -4.07 was determined to be 6.81 g/l at 20 ± 0.5 °C.
Key value for chemical safety assessment
- Water solubility:
- 6.81 g/L
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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